Tarlox-TKI, the bioactive metabolite of Tarloxotinib, is an irreversible pan-ErbB inhibitor.

Physicochemical Properties

Molecular Formula	C19H18BRCLN6O
Molecular Weight	461.742821216583
Exact Mass	460.041
CAS #	2135696-72-7
PubChem CID	51037658
Appearance	Light yellow to yellow solid powder
LogP	3.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	28
Complexity	551
Defined Atom Stereocenter Count	0
SMILES	BrC1=C(C=CC(=C1)NC1C2=CC(=NC=C2N=CN=1)NC(/C=C/CN(C)C)=O)Cl
InChi Key	QBACGOWRJDBXSG-ONEGZZNKSA-N
InChi Code	InChI=1S/C19H18BrClN6O/c1-27(2)7-3-4-18(28)26-17-9-13-16(10-22-17)23-11-24-19(13)25-12-5-6-15(21)14(20)8-12/h3-6,8-11H,7H2,1-2H3,(H,22,26,28)(H,23,24,25)/b4-3+
Chemical Name	(E)-N-[4-(3-bromo-4-chloroanilino)pyrido[3,4-d]pyrimidin-6-yl]-4-(dimethylamino)but-2-enamide
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro	For many types of cancer, epidermal growth factor receptors (EGFR, HER1) present an appealing therapeutic target. An EGFR inhibitor with dose effectiveness is Tarlox-TKI [1].
References	[1]. Hypoxia tumour targeting with Tarloxotinib to improve clinical outcomes for patients with EGFR-dependent malignancies.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~216.57 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.41 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.41 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.1657 mL	10.8286 mL	21.6572 mL
	5 mM	0.4331 mL	2.1657 mL	4.3314 mL
	10 mM	0.2166 mL	1.0829 mL	2.1657 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.